1-(4-chlorophenyl)-N-[[(2S)-oxiran-2-yl]methyl]methanimine

C10H10ClNO — CID 54589016

IUPAC1-(4-chlorophenyl)-N-[[(2S)-oxiran-2-yl]methyl]methanimine
SMILESClc1ccc(/C=N/C[C@H]2CO2)cc1
InChIInChI=1S/C10H10ClNO/c11-9-3-1-8(2-4-9)5-12-6-10-7-13-10/h1-5,10H,6-7H2/b12-5+/t10-/m0/s1
InChIKeySHNUNMVXBNGGDU-YIVIPITNSA-N
MW195.65 g/mol
LogP2.16
Rot. Bonds3

About 1-(4-chlorophenyl)-N-[[(2S)-oxiran-2-yl]methyl]methanimine

1-(4-chlorophenyl)-N-[[(2S)-oxiran-2-yl]methyl]methanimine (PubChem CID 54589016) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[[(2S)-oxiran-2-yl]methyl]methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[[(2S)-oxiran-2-yl]methyl]methanimine
PubChem CID54589016
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name1-(4-chlorophenyl)-N-[[(2S)-oxiran-2-yl]methyl]methanimine
SMILESClc1ccc(/C=N/C[C@H]2CO2)cc1
InChIInChI=1S/C10H10ClNO/c11-9-3-1-8(2-4-9)5-12-6-10-7-13-10/h1-5,10H,6-7H2/b12-5+/t10-/m0/s1
InChIKeySHNUNMVXBNGGDU-YIVIPITNSA-N
XLogP2.16
TPSA24.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[[(2S)-oxiran-2-yl]methyl]methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-[[(2S)-oxiran-2-yl]methyl]methanimine (CID 54589016) is 1-(4-chlorophenyl)-N-[[(2S)-oxiran-2-yl]methyl]methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[[(2S)-oxiran-2-yl]methyl]methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[[(2S)-oxiran-2-yl]methyl]methanimine is Clc1ccc(/C=N/C[C@H]2CO2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[[(2S)-oxiran-2-yl]methyl]methanimine?
The InChIKey is SHNUNMVXBNGGDU-YIVIPITNSA-N. The full InChI is InChI=1S/C10H10ClNO/c11-9-3-1-8(2-4-9)5-12-6-10-7-13-10/h1-5,10H,6-7H2/b12-5+/t10-/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[[(2S)-oxiran-2-yl]methyl]methanimine?
1-(4-chlorophenyl)-N-[[(2S)-oxiran-2-yl]methyl]methanimine has a molecular weight of 195.65 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[[(2S)-oxiran-2-yl]methyl]methanimine is sourced from PubChem (CID 54589016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).